SCHEMBL19336826

SCHEMBL19336826

COc1ccc(Oc2cc(NCC3COC3)c3ncc(-c4cccc(C)c4)n3n2)cc1F

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.70
▸ FYN P06241 3/20 0.38
▸ CACNA1H O95180 1/20 0.36
▸ ERN1 O75460 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17445622 0.90 TTK (0.78) TTKFYNCACNA1HERN1
SCHEMBL17445624 0.86 TTK (0.65) TTKFYNCACNA1H
SCHEMBL19336813 0.84 TTK (0.65) TTKFYNCACNA1H
SCHEMBL15554470 0.83 TTK (1.00) TTK
SCHEMBL19336855 0.82 TTK (0.71) TTKFYN
SCHEMBL19336800 0.82 TTK (0.83) TTK
SCHEMBL17425437 0.79 TTK (0.76) TTKFYN
SCHEMBL456224 0.78 TTK (0.78) TTKFYN
SCHEMBL458692 0.77 TTK (0.76) TTK
SCHEMBL19336837 0.73 TTK (0.67) TTKFYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 — — EP disclosed
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